SCHEMBL6607322

SCHEMBL6607322

COc1ccc([C@]2(C#N)CC[C@H](C(=O)O)CC2)c2c1OC(C)(C)O2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.53
PDE4A P27815 15/20 0.53
PDE4C Q08493 15/20 0.53
PDE4D Q08499 15/20 0.53
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APEX1 P27695 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6607325 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL6607320 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL6607331 0.90 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6607333 0.90 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6607329 0.90 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL4958570 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL7659295 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL7659290 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL6607847 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL7659299 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 PDE4B 2596/4885PDE4A 2844/4885PDE4C 3154/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.